SCHEMBL9906715

SCHEMBL9906715

OCC1CCCN1CC1CCC(CNCc2ccc(-c3ccc(Cl)cc3)o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KCNH2 Q12809 2/20 0.46
MCHR1 Q99705 2/20 0.46
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MELK Q14680 2/20 0.37
TSHR P16473 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13540697 0.82 SPHK2 (0.47) KCNH2ALDH1A1NPC1MEN1KMT2A
SCHEMBL13540688 0.73 SPHK2 (0.50) ALDH1A1SPHK2SPHK1
SCHEMBL13540769 0.72 POLB (0.38) POLBKCNH2MCHR1ALDH1A1NPSR1
SCHEMBL13540686 0.72 POLB (0.51) POLBKCNH2MCHR1ALDH1A1NPSR1
SCHEMBL9906713 0.71 CXCR4 (0.46) SPHK2SPHK1
SCHEMBL9906696 0.71 TSHR (0.52) MEN1KMT2ASPHK1MELKTSHR
Hydrochloric Acid SCHEMBL11635578 0.69 L3MBTL1 (0.69) POLBALDH1A1NPSR1USP2HTT
SCHEMBL9906638 0.69 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2SPHK1
SCHEMBL14045602 0.69 POLB (0.45) POLBL3MBTL1SPHK2SPHK1MELK
SCHEMBL8587272 0.69 POLB (0.45) POLBL3MBTL1SPHK2SPHK1MELK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES C5, THPO, TERT POLB 177/4885KCNH2 3732/4885MCHR1 3567/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.